2-chloro-6-ethyl-4-(2-methylphenoxy)thieno[2,3-d]pyrimidine

C15H13ClN2OS — CID 103319922

IUPAC2-chloro-6-ethyl-4-(2-methylphenoxy)thieno[2,3-d]pyrimidine
SMILESCCc1cc2c(Oc3ccccc3C)nc(Cl)nc2s1
InChIInChI=1S/C15H13ClN2OS/c1-3-10-8-11-13(17-15(16)18-14(11)20-10)19-12-7-5-4-6-9(12)2/h4-8H,3H2,1-2H3
InChIKeyWGXOJBYQKRVGCT-UHFFFAOYSA-N
MW304.80 g/mol
LogP5.01
Rot. Bonds3

About 2-chloro-6-ethyl-4-(2-methylphenoxy)thieno[2,3-d]pyrimidine

2-chloro-6-ethyl-4-(2-methylphenoxy)thieno[2,3-d]pyrimidine (PubChem CID 103319922) has the molecular formula C15H13ClN2OS and a molecular weight of 304.80 g/mol. Its IUPAC name is 2-chloro-6-ethyl-4-(2-methylphenoxy)thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name2-chloro-6-ethyl-4-(2-methylphenoxy)thieno[2,3-d]pyrimidine
PubChem CID103319922
Molecular FormulaC15H13ClN2OS
Molecular Weight304.80 g/mol
Exact Mass304.04
IUPAC Name2-chloro-6-ethyl-4-(2-methylphenoxy)thieno[2,3-d]pyrimidine
SMILESCCc1cc2c(Oc3ccccc3C)nc(Cl)nc2s1
InChIInChI=1S/C15H13ClN2OS/c1-3-10-8-11-13(17-15(16)18-14(11)20-10)19-12-7-5-4-6-9(12)2/h4-8H,3H2,1-2H3
InChIKeyWGXOJBYQKRVGCT-UHFFFAOYSA-N
XLogP5.01
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.80
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-4-(2-chloro-4-methylphenoxy)-6-ethylthieno[2,3-d]pyrimidine
CID 103320088
2-chloro-6-ethyl-4-(4-methylphenoxy)thieno[2,3-d]pyrimidine
CID 103319860
4-(4-bromo-3-methylphenoxy)-2-chloro-6-ethylthieno[2,3-d]pyrimidine
CID 103320225
4-(4-bromo-2-fluorophenoxy)-2-chloro-6-ethylthieno[2,3-d]pyrimidine
CID 103319978
4-(5-chloro-2-methylphenoxy)-6-ethylthieno[2,3-d]pyrimidin-2-amine
CID 103332918
2-chloro-4-[(5-chloro-3-pyridinyl)oxy]-6-ethylthieno[2,3-d]pyrimidine
CID 103320133
2-chloro-6-ethyl-4-(2-pyridin-2-ylethoxy)thieno[2,3-d]pyrimidine
CID 103319823
6-ethyl-4-(2-methoxyphenoxy)thieno[2,3-d]pyrimidin-2-amine
CID 103331898
4-(2-bromophenoxy)-2-chloro-6-methylthieno[2,3-d]pyrimidine
CID 103319762
2-chloro-6-ethyl-4-(4-methylpentoxy)thieno[2,3-d]pyrimidine
CID 103319793
4-(4-bromo-2-methylphenoxy)-6-ethylthieno[2,3-d]pyrimidin-2-amine
CID 103332531
4-(2-butoxyethoxy)-2-chloro-6-ethylthieno[2,3-d]pyrimidine
CID 103319783

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-ethyl-4-(2-methylphenoxy)thieno[2,3-d]pyrimidine?
The IUPAC name of 2-chloro-6-ethyl-4-(2-methylphenoxy)thieno[2,3-d]pyrimidine (CID 103319922) is 2-chloro-6-ethyl-4-(2-methylphenoxy)thieno[2,3-d]pyrimidine.
What is the SMILES notation for 2-chloro-6-ethyl-4-(2-methylphenoxy)thieno[2,3-d]pyrimidine?
The canonical SMILES for 2-chloro-6-ethyl-4-(2-methylphenoxy)thieno[2,3-d]pyrimidine is CCc1cc2c(Oc3ccccc3C)nc(Cl)nc2s1.
What is the InChIKey of 2-chloro-6-ethyl-4-(2-methylphenoxy)thieno[2,3-d]pyrimidine?
The InChIKey is WGXOJBYQKRVGCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2OS/c1-3-10-8-11-13(17-15(16)18-14(11)20-10)19-12-7-5-4-6-9(12)2/h4-8H,3H2,1-2H3.
What are the key properties of 2-chloro-6-ethyl-4-(2-methylphenoxy)thieno[2,3-d]pyrimidine?
2-chloro-6-ethyl-4-(2-methylphenoxy)thieno[2,3-d]pyrimidine has a molecular weight of 304.80 g/mol, XLogP of 5.01, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-ethyl-4-(2-methylphenoxy)thieno[2,3-d]pyrimidine is sourced from PubChem (CID 103319922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).